#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts s LEU 2 N 0.00 3.64 -0.22 4.03 1.98 -1.26 -4.91 118.68 121.94 1zts s LEU 2 Ca 0.00 1.17 0.12 0.00 -2.89 0.00 0.00 54.13 52.53 1zts s LEU 2 Cb 0.00 -4.11 0.44 0.00 0.66 0.00 0.00 46.19 43.18 1zts s LEU 2 CO 0.00 -0.56 1.30 0.18 -1.89 0.00 0.00 176.35 175.38 1zts n LEU 3 N -1.87 3.18 0.00 -0.68 4.32 -1.26 -5.03 117.00 115.66 1zts n LEU 3 Ca 0.03 -3.70 -0.13 0.00 -0.02 0.00 0.00 56.01 52.19 1zts n LEU 3 Cb 0.54 -0.55 0.02 0.00 -1.62 0.00 0.00 43.42 41.81 1zts n LEU 3 CO 0.51 1.22 0.12 2.30 -1.22 0.00 0.00 177.39 180.32 1zts n ILE 4 N -1.13 0.00 -4.30 -0.08 -5.35 -1.26 -5.15 119.36 102.09 1zts n ILE 4 Ca 0.23 -1.18 -0.17 0.00 -0.27 0.00 0.00 62.75 61.37 1zts n ILE 4 Cb 0.81 -0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 38.14 1zts n ILE 4 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zts s THR 5 N -1.32 1.46 0.30 7.28 -4.23 -1.26 -5.05 115.64 112.82 1zts s THR 5 Ca 0.26 -2.11 0.15 0.00 -1.18 0.00 0.00 61.69 58.81 1zts s THR 5 Cb -0.02 -1.92 0.09 0.00 1.34 0.00 0.00 72.50 71.99 1zts s THR 5 CO 0.16 -0.65 1.77 1.55 -0.54 0.00 0.00 174.62 176.91 1zts h PRO 6 N 2.72 0.00 -0.22 3.99 0.13 -1.90 -2.97 132.00 133.75 1zts h PRO 6 Ca -0.37 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 1zts h PRO 6 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1zts h PRO 6 CO 0.62 0.41 -0.37 -0.44 -0.23 0.00 0.00 178.00 177.99 1zts h ASP 7 N 0.00 0.50 0.08 1.44 5.19 -1.96 -2.96 116.42 118.71 1zts h ASP 7 Ca -0.00 -0.21 -0.13 0.00 -0.62 0.00 0.00 57.03 56.07 1zts h ASP 7 Cb 0.80 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 1zts h ASP 7 CO 0.05 0.83 -0.43 -0.08 -3.12 0.00 0.00 179.24 176.50 1zts h GLU 8 N 0.41 0.44 -0.22 3.56 4.22 -1.95 -2.41 114.58 118.63 1zts h GLU 8 Ca 0.04 -0.23 0.04 0.00 0.08 0.00 0.00 59.36 59.30 1zts h GLU 8 Cb 0.83 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1zts h GLU 8 CO 0.07 0.79 -0.04 1.25 -2.18 0.00 0.00 179.01 178.89 1zts h LEU 9 N 0.36 -0.18 -0.94 1.64 5.85 -1.46 -1.64 115.31 118.95 1zts h LEU 9 Ca 0.03 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1zts h LEU 9 Cb 0.90 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1zts h LEU 9 CO 0.08 -0.06 -0.50 0.07 -0.34 0.00 0.00 178.44 177.69 1zts h LYS 10 N 0.01 0.00 0.00 1.25 2.10 -1.55 0.25 116.57 118.63 1zts h LYS 10 Ca 0.11 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 1zts h LYS 10 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1zts h LYS 10 CO -0.22 0.50 -0.11 1.03 -2.00 0.00 0.00 179.45 178.65 1zts h SER 11 N 0.00 0.00 0.00 7.07 0.87 -0.79 -3.26 113.55 117.43 1zts h SER 11 Ca -0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.16 1zts h SER 11 Cb 0.93 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.83 1zts h SER 11 CO 0.06 0.11 -2.32 0.00 -0.53 0.00 0.00 176.83 174.15 1zts n TYR 12 N -4.22 0.00 -0.80 2.24 9.36 -0.85 -5.01 117.16 117.89 1zts n TYR 12 Ca -0.03 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.86 1zts n TYR 12 Cb 0.19 -0.85 0.12 0.00 -0.63 0.00 0.00 39.34 38.17 1zts n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1zts n SER 13 N -3.98 -2.23 -0.01 2.98 2.88 0.86 -4.96 113.62 109.16 1zts n SER 13 Ca -0.46 0.30 -0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1zts n SER 13 Cb 0.84 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 1zts n SER 13 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zts n VAL 14 N -3.61 0.12 -1.77 2.46 0.24 -1.26 -4.85 118.33 109.66 1zts n VAL 14 Ca 0.06 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.82 1zts n VAL 14 Cb 0.54 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 1zts n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1zts s PHE 15 N -2.16 1.47 0.64 6.34 0.08 -1.26 -4.84 117.98 118.25 1zts s PHE 15 Ca -0.01 -0.08 0.44 0.00 0.12 0.00 0.00 56.93 57.39 1zts s PHE 15 Cb 0.02 -4.11 2.36 0.00 -0.57 0.00 0.00 43.02 40.72 1zts s PHE 15 CO 0.14 -4.76 2.35 1.05 -0.10 0.00 0.00 175.22 173.91 1zts h GLU 16 N 11.13 0.00 -0.15 0.44 4.11 -1.99 -1.14 114.58 126.98 1zts h GLU 16 Ca -0.45 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.84 1zts h GLU 16 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1zts h GLU 16 CO 0.95 0.00 -0.52 0.77 0.07 0.00 0.00 179.01 180.29 1zts h SER 17 N 0.00 0.47 0.51 3.06 0.02 -1.94 0.25 113.55 115.92 1zts h SER 17 Ca -0.00 -0.24 -0.19 0.00 -0.84 0.00 0.00 61.79 60.52 1zts h SER 17 Cb 0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1zts h SER 17 CO 0.00 0.90 -0.82 0.58 -1.14 0.00 0.00 176.83 176.35 1zts h VAL 18 N 0.33 1.46 0.03 2.27 2.07 -1.46 -2.99 116.25 117.96 1zts h VAL 18 Ca 0.01 -2.47 -0.07 0.00 0.82 0.00 0.00 66.70 64.99 1zts h VAL 18 Cb 1.02 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1zts h VAL 18 CO 0.09 0.72 -0.36 0.11 0.02 0.00 0.00 177.57 178.15 1zts h LYS 19 N 0.14 0.05 -0.65 1.57 1.57 -1.43 -3.31 116.57 114.50 1zts h LYS 19 Ca -0.04 -0.09 0.18 0.00 -1.87 0.00 0.00 60.65 58.83 1zts h LYS 19 Cb 1.42 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 1zts h LYS 19 CO 0.13 1.04 0.47 0.00 -0.57 0.00 0.00 179.45 180.52 1zts h THR 20 N -0.88 0.69 -4.25 -0.16 1.03 -0.62 -3.42 112.91 105.31 1zts h THR 20 Ca -0.08 -0.01 -0.52 0.00 -0.01 0.00 0.00 66.41 65.79 1zts h THR 20 Cb 1.17 0.65 0.20 0.00 -1.07 0.00 0.00 68.15 69.10 1zts h THR 20 CO -0.00 0.01 0.22 -0.13 -0.01 0.00 0.00 175.52 175.60 1zts s ARG 21 N -5.04 0.99 0.09 0.00 0.52 -1.13 -5.02 118.95 109.36 1zts s ARG 21 Ca -0.05 1.53 -0.02 0.00 -0.52 0.00 0.00 55.73 56.67 1zts s ARG 21 Cb 0.20 -1.73 0.02 0.00 0.52 0.00 0.00 34.95 33.97 1zts s ARG 21 CO 0.75 -2.65 0.08 -0.35 0.02 0.00 0.00 175.30 173.15 1zts n PRO 22 N -4.24 -1.19 -0.03 3.54 -0.04 -1.26 -4.96 135.00 126.82 1zts n PRO 22 Ca 0.12 -0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1zts n PRO 22 Cb 0.52 -0.13 -0.13 0.00 -0.04 0.00 0.00 33.50 33.72 1zts n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zts n ASP 23 N -3.14 0.36 -0.03 3.54 8.00 -1.26 -3.77 116.55 120.24 1zts n ASP 23 Ca 0.01 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 1zts n ASP 23 Cb 0.05 0.87 -0.08 0.00 -0.02 0.00 0.00 41.12 41.94 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1zts h GLU 24 N 0.00 0.60 -0.30 -1.24 4.11 -2.01 -3.15 114.58 112.59 1zts h GLU 24 Ca -0.26 -0.47 -0.04 0.00 0.07 0.00 0.00 59.36 58.66 1zts h GLU 24 Cb 1.69 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1zts h GLU 24 CO 0.03 1.09 0.02 -0.07 0.07 0.00 0.00 179.01 180.15 1zts h LEU 25 N 0.25 0.51 -1.38 3.06 3.38 -1.97 -2.85 115.31 116.31 1zts h LEU 25 Ca -0.03 -0.29 0.20 0.00 0.09 0.00 0.00 57.88 57.85 1zts h LEU 25 Cb 1.17 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 1zts h LEU 25 CO 0.11 0.67 0.61 -0.07 0.09 0.00 0.00 178.44 179.85 1zts h LEU 26 N 0.33 0.51 -0.46 1.67 3.38 -1.65 0.20 115.31 119.28 1zts h LEU 26 Ca 0.09 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1zts h LEU 26 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1zts h LEU 26 CO 0.01 0.20 0.15 0.11 0.09 0.00 0.00 178.44 179.00 1zts h LYS 27 N 0.50 0.72 -0.83 1.13 1.57 -1.46 -1.43 116.57 116.77 1zts h LYS 27 Ca 0.50 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1zts h LYS 27 Cb 1.10 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1zts h LYS 27 CO -0.23 0.69 0.47 1.96 -0.57 0.00 0.00 179.45 181.77 1zts h GLN 28 N 0.61 1.16 -0.06 3.15 4.20 -0.92 -1.70 115.11 121.55 1zts h GLN 28 Ca 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1zts h GLN 28 Cb 0.27 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1zts h GLN 28 CO -0.01 0.84 0.01 0.22 -0.67 0.00 0.00 178.83 179.23 1zts h ASP 29 N 1.16 0.10 -0.16 1.46 3.58 -1.17 -1.27 116.42 120.11 1zts h ASP 29 Ca 0.30 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.53 1zts h ASP 29 Cb 0.01 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1zts h ASP 29 CO -0.05 0.33 -0.10 0.40 -2.88 0.00 0.00 179.24 176.94 1zts h ILE 30 N -0.14 0.69 0.00 2.25 2.04 -1.08 0.28 117.51 121.55 1zts h ILE 30 Ca 0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1zts h ILE 30 Cb 0.27 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1zts h ILE 30 CO 0.00 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.94 1zts h LEU 31 N -0.10 0.00 -0.03 1.44 3.38 -1.30 -1.44 115.31 117.27 1zts h LEU 31 Ca 0.10 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1zts h LEU 31 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1zts h LEU 31 CO -0.23 0.14 -0.51 -0.33 0.09 0.00 0.00 178.44 177.61 1zts h GLU 32 N 0.00 0.00 0.04 1.13 5.08 0.05 -3.30 114.58 117.59 1zts h GLU 32 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1zts h GLU 32 Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1zts h GLU 32 CO 0.02 0.51 -0.56 0.00 -1.00 0.00 0.00 179.01 177.97 1zts h ALA 33 N 1.49 0.02 -0.10 3.43 0.00 0.50 -3.22 119.26 121.38 1zts h ALA 33 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1zts h ALA 33 Cb 1.38 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1zts h ALA 33 CO 0.07 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.80 1zts h THR 34 N -0.30 0.23 0.00 0.00 1.03 -1.44 0.74 112.91 113.17 1zts h THR 34 Ca -0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.26 1zts h THR 34 Cb 1.33 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 1zts h THR 34 CO 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 175.52 175.35 1zts h ALA 35 N 1.70 1.47 0.00 0.00 0.00 -1.63 -2.07 119.26 118.74 1zts h ALA 35 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1zts h ALA 35 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1zts h ALA 35 CO -0.00 0.33 -0.04 0.22 0.00 0.00 0.00 179.25 179.76 1zts h ASP 36 N 0.00 0.04 -0.57 0.00 -0.00 -1.00 -2.32 116.42 112.57 1zts h ASP 36 Ca -0.00 -0.82 0.05 0.00 -0.00 0.00 0.00 57.03 56.26 1zts h ASP 36 Cb 0.50 -0.01 -0.05 0.00 -0.00 0.00 0.00 39.33 39.77 1zts h ASP 36 CO 0.03 0.85 0.30 0.40 -0.00 0.00 0.00 179.24 180.82 1zts h ILE 37 N -0.77 0.96 -0.26 2.25 2.04 -1.52 -1.75 117.51 118.46 1zts h ILE 37 Ca -0.01 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1zts h ILE 37 Cb 0.86 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1zts h ILE 37 CO 0.01 0.10 -0.26 0.40 0.00 0.00 0.00 178.15 178.40 1zts h ILE 38 N 0.57 1.27 0.00 -0.67 2.04 -1.48 -2.40 117.51 116.84 1zts h ILE 38 Ca 0.25 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1zts h ILE 38 Cb 0.15 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1zts h ILE 38 CO -0.16 0.41 -0.10 -0.07 0.00 0.00 0.00 178.15 178.22 1zts h LEU 39 N 0.44 0.00 0.07 1.44 3.38 -0.75 0.20 115.31 120.09 1zts h LEU 39 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1zts h LEU 39 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1zts h LEU 39 CO 0.05 0.10 -0.73 0.11 0.09 0.00 0.00 178.44 178.06 1zts h LYS 40 N 0.00 0.14 0.00 1.13 1.57 -0.89 -3.34 116.57 115.19 1zts h LYS 40 Ca -0.00 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1zts h LYS 40 Cb 0.40 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1zts h LYS 40 CO 0.01 1.11 -0.40 -0.39 -0.57 0.00 0.00 179.45 179.22 1zts h VAL 41 N -0.67 0.91 -0.62 0.50 -1.51 -1.31 -3.47 116.25 110.09 1zts h VAL 41 Ca -0.16 -1.62 -0.03 0.00 -1.23 0.00 0.00 66.70 63.67 1zts h VAL 41 Cb 1.40 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1zts h VAL 41 CO 0.03 0.39 -0.04 0.61 -1.23 0.00 0.00 177.57 177.33 1zts n GLY 42 N 0.33 0.53 3.63 5.19 0.00 0.70 -2.78 105.19 112.78 1zts n GLY 42 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 1zts n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zts s HIS 43 N -2.43 -0.19 0.00 1.61 -3.43 -1.09 -4.94 115.29 104.81 1zts s HIS 43 Ca 0.01 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 1zts s HIS 43 Cb -0.01 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.60 1zts s HIS 43 CO 0.02 -0.14 0.00 -0.40 -2.00 0.00 0.00 174.74 172.22 1zts n ASP 44 N 1.11 0.75 -3.08 7.38 5.68 -1.26 -4.68 116.55 122.44 1zts n ASP 44 Ca -0.07 -0.98 -0.22 0.00 -0.50 0.00 0.00 54.79 53.02 1zts n ASP 44 Cb 0.58 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.52 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1zts n PHE 45 N -0.61 1.87 0.06 2.11 3.72 -1.26 -4.88 117.46 118.46 1zts n PHE 45 Ca 0.00 -3.90 -0.21 0.00 -0.05 0.00 0.00 57.45 53.29 1zts n PHE 45 Cb 0.00 -0.45 -0.15 0.00 -0.94 0.00 0.00 39.48 37.94 1zts n PHE 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1zts h SER 46 N 3.01 0.52 -1.49 4.37 4.64 -1.94 -3.41 113.55 119.26 1zts h SER 46 Ca 0.11 -0.93 -0.67 0.00 -0.47 0.00 0.00 61.79 59.83 1zts h SER 46 Cb 0.76 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1zts h SER 46 CO 0.64 1.49 1.22 0.47 -0.87 0.00 0.00 176.83 179.78 1zts n ASP 47 N -4.02 2.60 0.29 4.97 8.00 -1.26 -4.79 116.55 122.34 1zts n ASP 47 Ca -0.16 0.71 0.19 0.00 0.71 0.00 0.00 54.79 56.23 1zts n ASP 47 Cb 0.89 -1.28 0.98 0.00 -0.02 0.00 0.00 41.12 41.70 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zts h ALA 48 N 10.46 1.39 -0.61 2.24 0.00 -1.96 0.10 119.26 130.88 1zts h ALA 48 Ca -0.38 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1zts h ALA 48 Cb 1.30 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1zts h ALA 48 CO 0.98 -0.15 0.26 -0.85 0.00 0.00 0.00 179.25 179.49 1zts n GLU 49 N -3.39 2.96 -2.69 0.00 0.00 -1.26 -4.36 120.64 111.91 1zts n GLU 49 Ca -0.01 -2.37 -0.05 0.00 0.00 0.00 0.00 57.16 54.72 1zts n GLU 49 Cb 0.21 -2.00 0.10 0.00 0.00 0.00 0.00 31.44 29.75 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1zts n TYR 50 N -0.16 -1.44 -3.36 -1.84 -0.00 0.34 -4.68 117.16 106.03 1zts n TYR 50 Ca 0.34 -1.31 -0.31 0.00 -0.00 0.00 0.00 57.90 56.62 1zts n TYR 50 Cb 1.20 1.37 -0.06 0.00 -0.00 0.00 0.00 39.34 41.85 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1zts n ILE 51 N 0.39 3.08 -2.23 2.97 5.41 -1.22 -4.62 119.36 123.14 1zts n ILE 51 Ca -0.02 -5.38 -0.41 0.00 1.00 0.00 0.00 62.75 57.95 1zts n ILE 51 Cb 0.73 -2.11 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 1zts n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1zts s PRO 52 N -2.46 4.41 -0.44 0.38 0.04 -1.26 -5.00 135.00 130.67 1zts s PRO 52 Ca 0.37 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.51 1zts s PRO 52 Cb 0.11 -3.17 0.20 0.00 0.04 0.00 0.00 34.50 31.67 1zts s PRO 52 CO 0.00 -0.18 0.52 -0.11 0.04 0.00 0.00 177.00 177.27 1zts n LEU 53 N 2.10 -1.30 0.00 -3.56 7.94 -1.26 -5.07 117.00 115.85 1zts n LEU 53 Ca 0.04 -3.99 0.00 0.00 -1.11 0.00 0.00 56.01 50.95 1zts n LEU 53 Cb 0.43 0.64 0.00 0.00 0.53 0.00 0.00 43.42 45.02 1zts n LEU 53 CO 0.58 1.93 0.00 -0.81 -1.11 0.00 0.00 177.39 177.98 1zts n PRO 54 N 2.49 -0.87 0.12 1.96 -0.04 -1.26 -4.87 135.00 132.53 1zts n PRO 54 Ca 0.24 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1zts n PRO 54 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1zts n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1zts h GLU 55 N 0.00 0.00 -0.03 0.54 4.81 -2.00 -3.20 114.58 114.69 1zts h GLU 55 Ca 0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1zts h GLU 55 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1zts h GLU 55 CO 0.00 0.17 -0.94 0.00 -0.73 0.00 0.00 179.01 177.52 1zts h THR 56 N 0.00 1.33 -0.02 0.32 1.03 -1.93 -3.08 112.91 110.56 1zts h THR 56 Ca -0.04 -2.25 -0.01 0.00 -0.01 0.00 0.00 66.41 64.10 1zts h THR 56 Cb 1.23 2.29 -0.00 0.00 -1.07 0.00 0.00 68.15 70.60 1zts h THR 56 CO 0.02 0.69 -0.03 0.58 -0.01 0.00 0.00 175.52 176.78 1zts h VAL 57 N 0.36 1.40 -0.88 0.00 2.07 -1.77 -2.16 116.25 115.26 1zts h VAL 57 Ca -0.09 -1.22 0.18 0.00 0.82 0.00 0.00 66.70 66.39 1zts h VAL 57 Cb 1.57 2.17 -0.07 0.00 -1.52 0.00 0.00 31.29 33.44 1zts h VAL 57 CO 0.18 0.32 0.58 -0.09 0.02 0.00 0.00 177.57 178.58 1zts h ARG 58 N -0.43 0.48 -0.03 1.57 2.43 -1.65 -1.43 114.38 115.32 1zts h ARG 58 Ca 0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1zts h ARG 58 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1zts h ARG 58 CO 0.01 0.32 -0.12 1.25 -1.51 0.00 0.00 179.97 179.91 1zts h LEU 59 N 0.50 0.16 -0.74 3.80 5.85 -1.48 -2.46 115.31 120.93 1zts h LEU 59 Ca 0.45 -0.65 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1zts h LEU 59 Cb 0.99 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 1zts h LEU 59 CO -0.19 0.78 0.29 0.00 -0.34 0.00 0.00 178.44 178.99 1zts h ALA 60 N 0.38 1.02 -0.47 1.25 0.00 -0.62 -0.81 119.26 120.01 1zts h ALA 60 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1zts h ALA 60 Cb 0.78 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1zts h ALA 60 CO 0.03 -0.20 -0.13 1.25 0.00 0.00 0.00 179.25 180.19 1zts h LEU 61 N 0.44 0.93 -1.11 0.00 7.12 -1.35 -1.79 115.31 119.55 1zts h LEU 61 Ca 0.40 -0.37 0.06 0.00 0.13 0.00 0.00 57.88 58.11 1zts h LEU 61 Cb 0.59 -0.25 -0.06 0.00 -0.53 0.00 0.00 40.66 40.40 1zts h LEU 61 CO -0.39 1.08 0.61 -0.07 -0.13 0.00 0.00 178.44 179.54 1zts h LEU 62 N 0.77 0.94 -0.08 2.25 3.38 -0.70 0.26 115.31 122.13 1zts h LEU 62 Ca 0.12 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1zts h LEU 62 Cb 0.68 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1zts h LEU 62 CO 0.05 0.61 -0.33 0.11 0.09 0.00 0.00 178.44 178.96 1zts h LYS 63 N 1.07 0.37 -0.83 1.13 1.57 -1.08 -3.03 116.57 115.77 1zts h LYS 63 Ca 0.40 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1zts h LYS 63 Cb 0.19 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1zts h LYS 63 CO -0.15 0.92 0.41 -0.07 -0.57 0.00 0.00 179.45 179.99 1zts h LEU 64 N -0.10 1.08 -0.13 2.94 3.38 -0.87 -2.09 115.31 119.52 1zts h LEU 64 Ca -0.02 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1zts h LEU 64 Cb 0.97 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1zts h LEU 64 CO 0.07 0.90 -0.05 0.28 0.09 0.00 0.00 178.44 179.73 1zts h SER 65 N 1.17 -0.17 -0.57 -0.43 0.02 -0.54 -1.70 113.55 111.34 1zts h SER 65 Ca 0.29 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1zts h SER 65 Cb 0.11 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1zts h SER 65 CO -0.04 -0.07 0.29 -0.61 -1.14 0.00 0.00 176.83 175.26 1zts h GLN 66 N -0.03 0.84 0.40 3.45 4.15 -1.39 0.35 115.11 122.88 1zts h GLN 66 Ca 0.07 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1zts h GLN 66 Cb 0.13 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1zts h GLN 66 CO -0.15 0.65 -0.22 0.35 -1.93 0.00 0.00 178.83 177.52 1zts h PHE 67 N 0.84 -0.58 -0.17 3.99 3.04 -0.67 -1.44 116.94 121.95 1zts h PHE 67 Ca 0.21 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1zts h PHE 67 Cb 0.08 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1zts h PHE 67 CO 0.01 -0.35 0.01 1.88 -2.02 0.00 0.00 178.31 177.84 1zts h TYR 68 N -0.58 0.33 -0.60 0.41 0.05 -1.16 -2.69 116.97 112.72 1zts h TYR 68 Ca -0.05 -0.05 0.17 0.00 0.05 0.00 0.00 58.73 58.85 1zts h TYR 68 Cb 0.47 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1zts h TYR 68 CO -0.07 0.50 0.49 0.00 -1.05 0.00 0.00 178.16 178.02 1zts h ALA 69 N 0.79 2.48 0.01 3.88 0.00 -0.87 0.27 119.26 125.81 1zts h ALA 69 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zts h ALA 69 Cb 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zts h ALA 69 CO 0.01 -0.80 -0.00 1.25 0.00 0.00 0.00 179.25 179.71 1zts h LEU 70 N 0.00 -0.01 -3.46 0.00 5.85 -0.93 -3.26 115.31 113.50 1zts h LEU 70 Ca 0.29 -0.67 -0.33 0.00 0.84 0.00 0.00 57.88 58.00 1zts h LEU 70 Cb 1.25 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.09 1zts h LEU 70 CO -0.00 0.68 0.42 2.30 -0.34 0.00 0.00 178.44 181.50 1zts n ILE 71 N -4.77 2.62 -0.05 4.05 -5.35 -0.52 -3.40 119.36 111.95 1zts n ILE 71 Ca -0.09 -1.42 -0.01 0.00 -0.27 0.00 0.00 62.75 60.96 1zts n ILE 71 Cb 0.34 -0.54 -0.16 0.00 -1.74 0.00 0.00 39.64 37.54 1zts n ILE 71 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1zts n ASN 72 N -0.56 0.09 -1.50 7.28 3.02 0.85 -4.75 115.26 119.68 1zts n ASN 72 Ca 0.42 0.04 -0.04 0.00 -0.03 0.00 0.00 54.58 54.97 1zts n ASN 72 Cb 1.34 1.32 0.01 0.00 -0.61 0.00 0.00 39.78 41.84 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zts n GLY 73 N 1.52 0.76 3.30 7.41 0.00 -1.26 -5.07 105.19 111.84 1zts n GLY 73 Ca -0.19 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1zts n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zts s ASP 74 N -0.85 -1.16 -0.17 1.61 -1.08 -1.22 -4.97 116.67 108.83 1zts s ASP 74 Ca 0.03 0.82 0.16 0.00 -0.52 0.00 0.00 52.55 53.04 1zts s ASP 74 Cb 0.14 -1.15 0.37 0.00 -1.46 0.00 0.00 42.92 40.82 1zts s ASP 74 CO -0.04 -5.42 1.22 1.21 0.52 0.00 0.00 175.17 172.65 1zts n GLU 75 N -5.67 1.56 -0.76 4.34 2.13 -1.26 -4.61 120.64 116.37 1zts n GLU 75 Ca 0.13 -2.87 -0.04 0.00 0.66 0.00 0.00 57.16 55.04 1zts n GLU 75 Cb 0.60 -1.59 -0.04 0.00 0.27 0.00 0.00 31.44 30.68 1zts n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zts n SER 76 N -1.24 -0.56 -3.78 4.31 3.41 -1.26 -5.12 113.62 109.38 1zts n SER 76 Ca 0.19 -1.42 -0.16 0.00 -0.26 0.00 0.00 58.87 57.22 1zts n SER 76 Cb 0.70 0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.66 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zts s ILE 77 N 0.00 -0.00 0.01 -1.33 1.01 -1.26 -3.80 121.20 115.83 1zts s ILE 77 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1zts s ILE 77 Cb 0.00 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.33 1zts s ILE 77 CO 0.00 0.11 0.01 -0.63 0.00 0.00 0.00 174.94 174.43 1zts s ILE 78 N 1.10 0.07 -0.38 2.92 1.09 -1.22 -4.78 121.20 120.00 1zts s ILE 78 Ca -0.09 -0.59 0.07 0.00 -1.10 0.00 0.00 60.65 58.94 1zts s ILE 78 Cb -0.13 -0.21 0.57 0.00 -1.06 0.00 0.00 42.46 41.63 1zts s ILE 78 CO -0.03 -0.33 1.57 2.29 -0.10 0.00 0.00 174.94 178.35 1zts n LYS 79 N 2.05 3.04 -3.24 2.79 2.85 -1.26 -1.60 118.16 122.79 1zts n LYS 79 Ca -0.20 -2.36 -0.16 0.00 -1.05 0.00 0.00 58.31 54.54 1zts n LYS 79 Cb 0.57 -2.00 0.05 0.00 -0.65 0.00 0.00 35.03 33.00 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1zts n GLY 80 N -0.10 -0.07 2.67 2.58 0.00 -1.26 -4.35 105.19 104.67 1zts n GLY 80 Ca 0.33 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1zts n GLY 80 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zts n TYR 81 N -4.17 -4.06 -3.96 1.61 9.36 -1.26 -5.07 117.16 109.61 1zts n TYR 81 Ca -0.00 2.22 -0.10 0.00 3.32 0.00 0.00 57.90 63.33 1zts n TYR 81 Cb 0.54 -3.74 -0.03 0.00 -0.63 0.00 0.00 39.34 35.49 1zts n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1zts s THR 82 N -0.89 0.00 0.03 2.97 2.01 -1.26 -5.17 115.64 113.33 1zts s THR 82 Ca -0.20 -1.32 -0.00 0.00 0.31 0.00 0.00 61.69 60.48 1zts s THR 82 Cb 0.01 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1zts s THR 82 CO 0.74 0.00 0.02 0.35 -0.69 0.00 0.00 174.62 175.03 1zts n THR 83 N -0.48 0.00 -0.63 -0.82 -2.24 -1.26 -4.95 114.28 103.91 1zts n THR 83 Ca -0.03 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 1zts n THR 83 Cb 0.61 -0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1zts n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zts n GLU 84 N -2.06 -1.89 -1.61 -0.78 1.02 -1.26 -4.81 120.64 109.25 1zts n GLU 84 Ca 0.00 -0.54 -0.46 0.00 -0.02 0.00 0.00 57.16 56.14 1zts n GLU 84 Cb 0.01 -1.66 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1zts n GLU 84 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1zts n LYS 85 N -2.17 1.45 -4.29 3.49 2.85 -1.26 -4.99 118.16 113.24 1zts n LYS 85 Ca 0.02 0.51 -0.20 0.00 -1.05 0.00 0.00 58.31 57.59 1zts n LYS 85 Cb 0.58 -1.98 -0.13 0.00 -0.65 0.00 0.00 35.03 32.85 1zts n LYS 85 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1zts s ILE 86 N -0.64 1.27 -1.07 0.58 1.01 -1.26 -5.04 121.20 116.04 1zts s ILE 86 Ca 0.64 -1.24 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1zts s ILE 86 Cb -0.73 -1.17 -0.13 0.00 0.01 0.00 0.00 42.46 40.44 1zts s ILE 86 CO 0.56 -0.09 3.15 0.61 0.00 0.00 0.00 174.94 179.17 1zts n GLY 87 N 1.49 3.90 0.00 6.18 0.00 -1.26 -4.82 105.19 110.68 1zts n GLY 87 Ca -0.20 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1zts n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 88 N 3.09 0.00 -4.66 1.61 4.64 -1.26 -5.12 116.55 114.85 1zts n ASP 88 Ca 0.66 -0.96 -0.43 0.00 -1.38 0.00 0.00 54.79 52.69 1zts n ASP 88 Cb 0.46 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.51 1zts n ASP 88 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1zts s TYR 89 N -2.52 2.83 0.00 -0.67 1.51 -1.26 -4.92 117.35 112.33 1zts s TYR 89 Ca 0.00 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.05 1zts s TYR 89 Cb 0.00 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 1zts s TYR 89 CO 0.00 -1.74 0.00 0.45 -1.11 0.00 0.00 175.55 173.15 1zts n SER 90 N 6.61 0.00 -2.90 2.29 2.88 -1.26 -5.06 113.62 116.19 1zts n SER 90 Ca 0.14 -0.84 -0.12 0.00 -1.33 0.00 0.00 58.87 56.71 1zts n SER 90 Cb 0.45 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.97 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1zts n TYR 91 N 0.00 -1.87 -1.55 0.66 4.02 -1.24 -4.57 117.16 112.62 1zts n TYR 91 Ca 0.00 0.70 -0.39 0.00 -0.01 0.00 0.00 57.90 58.20 1zts n TYR 91 Cb 0.00 -4.04 0.03 0.00 -0.02 0.00 0.00 39.34 35.31 1zts n TYR 91 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1zts n THR 92 N -3.10 2.71 -4.16 -0.72 -1.04 -0.63 -4.52 114.28 102.81 1zts n THR 92 Ca -0.12 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.16 1zts n THR 92 Cb 0.61 -0.93 -0.06 0.00 -1.82 0.00 0.00 70.33 68.13 1zts n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1zts s LEU 93 N -0.33 3.39 0.63 -4.42 1.43 -1.13 -3.44 118.68 114.82 1zts s LEU 93 Ca 0.69 -0.57 0.32 0.00 -1.03 0.00 0.00 54.13 53.54 1zts s LEU 93 Cb -0.48 -1.91 1.79 0.00 0.03 0.00 0.00 46.19 45.62 1zts s LEU 93 CO 0.53 -0.11 2.09 1.23 0.23 0.00 0.00 176.35 180.32 1zts h GLY 94 N 1.65 0.00 -2.97 -3.19 0.00 -1.91 0.24 103.07 96.88 1zts h GLY 94 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1zts h GLY 94 CO 0.61 0.00 0.07 1.22 0.00 0.00 0.00 176.54 178.44 1zts n ASP 95 N -3.40 4.37 -2.24 0.19 10.43 -1.26 -4.89 116.55 119.75 1zts n ASP 95 Ca 0.00 -2.76 -0.12 0.00 2.57 0.00 0.00 54.79 54.48 1zts n ASP 95 Cb 0.31 -0.65 -0.01 0.00 1.84 0.00 0.00 41.12 42.60 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zts n GLY 96 N 0.30 -0.19 3.93 0.44 0.00 0.84 -4.94 105.19 105.57 1zts n GLY 96 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1zts n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zts s SER 97 N -2.03 6.24 -0.90 1.61 0.01 -1.26 -4.88 113.70 112.48 1zts s SER 97 Ca 0.00 0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1zts s SER 97 Cb 0.00 -1.85 0.23 0.00 0.21 0.00 0.00 66.02 64.62 1zts s SER 97 CO 0.00 0.04 0.85 -0.94 0.41 0.00 0.00 173.24 173.60 1zts s SER 98 N -3.32 6.84 -0.54 2.44 1.04 -1.26 -2.81 113.70 116.08 1zts s SER 98 Ca 0.34 -2.99 -0.31 0.00 0.48 0.00 0.00 55.95 53.47 1zts s SER 98 Cb -0.11 -2.19 -0.12 0.00 0.10 0.00 0.00 66.02 63.71 1zts s SER 98 CO 0.28 -0.47 2.39 -0.11 0.98 0.00 0.00 173.24 176.30 1zts n LEU 99 N 3.54 1.82 -4.89 2.42 7.94 -1.26 -4.92 117.00 121.65 1zts n LEU 99 Ca 0.17 0.04 -0.34 0.00 -1.11 0.00 0.00 56.01 54.77 1zts n LEU 99 Cb 0.44 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.04 1zts n LEU 99 CO 0.37 -1.01 -0.04 -1.10 -1.11 0.00 0.00 177.39 174.49 1zts s GLN 100 N 7.56 3.59 0.96 1.96 -0.21 -1.26 -4.86 119.66 127.40 1zts s GLN 100 Ca 1.11 -0.08 -0.13 0.00 0.02 0.00 0.00 55.36 56.28 1zts s GLN 100 Cb -0.70 -3.04 0.03 0.00 1.00 0.00 0.00 33.01 30.30 1zts s GLN 100 CO 0.41 0.61 0.34 1.63 -2.12 0.00 0.00 175.29 176.16 1zts n LYS 101 N 0.89 -0.30 -2.25 2.91 4.01 -1.26 -4.91 118.16 117.24 1zts n LYS 101 Ca -0.09 -0.05 -0.40 0.00 -0.51 0.00 0.00 58.31 57.26 1zts n LYS 101 Cb 0.52 -1.81 -0.02 0.00 -0.51 0.00 0.00 35.03 33.21 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1zts s PRO 102 N -3.56 4.29 -1.16 1.97 0.04 -1.26 -4.91 135.00 130.41 1zts s PRO 102 Ca 0.56 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 1zts s PRO 102 Cb -0.21 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1zts s PRO 102 CO 0.68 -0.16 1.99 -0.25 0.04 0.00 0.00 177.00 179.30 1zts n ASP 103 N 0.59 3.51 -2.03 6.66 9.92 -1.26 -4.63 116.55 129.30 1zts n ASP 103 Ca 0.01 -2.78 -0.08 0.00 -0.53 0.00 0.00 54.79 51.42 1zts n ASP 103 Cb 0.44 -1.51 0.29 0.00 -0.64 0.00 0.00 41.12 39.70 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1zts n VAL 104 N 6.05 2.94 0.03 2.53 0.24 -1.26 -4.42 118.33 124.44 1zts n VAL 104 Ca 0.50 -1.62 -0.08 0.00 -2.04 0.00 0.00 64.34 61.10 1zts n VAL 104 Cb 0.42 -0.38 0.08 0.00 -1.47 0.00 0.00 33.84 32.49 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 2.52 0.59 0.00 6.34 3.20 -1.99 -2.92 116.97 124.71 1zts h TYR 105 Ca 0.30 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1zts h TYR 105 Cb 2.39 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.54 1zts h TYR 105 CO 1.32 0.91 -0.27 0.00 -1.64 0.00 0.00 178.16 178.47 1zts h ALA 106 N 1.05 1.04 0.00 1.82 0.00 -1.99 0.25 119.26 121.43 1zts h ALA 106 Ca 0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1zts h ALA 106 Cb 1.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1zts h ALA 106 CO 0.10 0.34 -0.47 -0.07 0.00 0.00 0.00 179.25 179.15 1zts h LEU 107 N 0.00 0.00 -0.96 0.00 3.38 -1.82 -3.16 115.31 112.75 1zts h LEU 107 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1zts h LEU 107 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1zts h LEU 107 CO 0.04 0.47 -0.19 2.30 0.09 0.00 0.00 178.44 181.14 1zts n ILE 108 N -3.50 0.00 0.32 1.22 -5.35 -1.06 -4.43 119.36 106.57 1zts n ILE 108 Ca 0.00 -0.41 0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1zts n ILE 108 Cb 0.59 1.17 1.07 0.00 -1.74 0.00 0.00 39.64 40.73 1zts n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1zts h LYS 109 N 1.61 0.00 0.00 6.28 1.63 -0.47 0.26 116.57 125.88 1zts h LYS 109 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zts h LYS 109 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1zts h LYS 109 CO 0.00 0.00 -0.09 0.22 -3.45 0.00 0.00 179.45 176.13 1zts h ASP 110 N 0.00 0.00 -0.99 4.20 3.58 -1.79 -3.32 116.42 118.11 1zts h ASP 110 Ca 0.01 -0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.98 1zts h ASP 110 Cb 0.21 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 40.84 1zts h ASP 110 CO -0.00 0.00 -0.91 -1.22 -2.88 0.00 0.00 179.24 174.23 1zts n TYR 111 N -3.03 2.44 -3.70 0.28 4.01 0.88 -4.99 117.16 113.05 1zts n TYR 111 Ca 0.04 -2.60 -0.38 0.00 -0.16 0.00 0.00 57.90 54.80 1zts n TYR 111 Cb 0.53 -0.24 -0.11 0.00 -0.31 0.00 0.00 39.34 39.21 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1zts s VAL 112 N -4.52 3.60 -0.38 -0.72 1.01 -0.94 -4.80 120.40 113.65 1zts s VAL 112 Ca 0.42 -1.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.26 1zts s VAL 112 Cb 0.40 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1zts s VAL 112 CO -0.05 -0.69 0.49 1.17 0.00 0.00 0.00 175.10 176.02 1zts n LYS 113 N 4.70 -2.18 -0.45 2.72 3.00 -1.12 -4.99 118.16 119.85 1zts n LYS 113 Ca -0.05 1.85 -0.13 0.00 -0.00 0.00 0.00 58.31 59.99 1zts n LYS 113 Cb 0.41 -3.98 0.11 0.00 0.00 0.00 0.00 35.03 31.57 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zts n PRO 114 N 0.01 -1.93 -2.56 1.64 -0.04 -1.26 -5.00 135.00 125.86 1zts n PRO 114 Ca 0.02 -0.75 -0.28 0.00 -0.04 0.00 0.00 63.50 62.46 1zts n PRO 114 Cb 0.48 -0.70 -0.01 0.00 -0.04 0.00 0.00 33.50 33.24 1zts n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zts n ALA 115 N -3.80 5.05 -2.43 0.55 0.00 -1.26 -5.04 120.51 113.57 1zts n ALA 115 Ca -0.09 -4.40 -0.27 0.00 0.00 0.00 0.00 53.44 48.68 1zts n ALA 115 Cb 0.25 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 1zts n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zts s ASP 116 N -3.43 3.45 0.43 0.00 1.11 -1.26 -5.15 116.67 111.82 1zts s ASP 116 Ca 0.48 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 52.34 1zts s ASP 116 Cb 0.38 -0.26 0.00 0.00 1.07 0.00 0.00 42.92 44.10 1zts s ASP 116 CO -0.19 0.12 0.00 -0.81 1.18 0.00 0.00 175.17 175.47 1zts n PRO 117 N 0.23 0.13 -0.38 8.23 -0.04 -1.26 -4.89 135.00 137.03 1zts n PRO 117 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1zts n PRO 117 Cb 0.56 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.19 1zts n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zts n ASP 118 N -1.29 2.98 0.27 3.54 2.03 -1.26 -4.26 116.55 118.56 1zts n ASP 118 Ca 0.00 -2.39 0.18 0.00 0.52 0.00 0.00 54.79 53.10 1zts n ASP 118 Cb 0.00 -0.57 0.94 0.00 -0.72 0.00 0.00 41.12 40.77 1zts n ASP 118 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1zts h LEU 119 N 1.68 0.00 -9.65 -2.67 8.10 -2.01 -3.43 115.31 107.33 1zts h LEU 119 Ca 0.00 0.00 -0.50 0.00 0.11 0.00 0.00 57.88 57.49 1zts h LEU 119 Cb 1.12 0.00 0.23 0.00 -0.44 0.00 0.00 40.66 41.56 1zts h LEU 119 CO 0.21 0.00 -0.96 -1.84 -4.11 0.00 0.00 178.44 171.74 1zts n GLU 120 N -3.46 -0.74 -1.52 0.17 0.28 -1.26 -4.66 120.64 109.45 1zts n GLU 120 Ca -0.01 -0.19 -0.40 0.00 -0.16 0.00 0.00 57.16 56.40 1zts n GLU 120 Cb 0.24 -1.70 -0.07 0.00 1.43 0.00 0.00 31.44 31.35 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1zts n GLY 121 N 1.93 0.12 3.03 -1.84 0.00 -1.26 -4.90 105.19 102.28 1zts n GLY 121 Ca 0.03 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 1zts n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zts s ILE 122 N 10.30 0.03 -1.29 -0.61 1.01 -1.26 -4.83 121.20 124.55 1zts s ILE 122 Ca 1.10 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1zts s ILE 122 Cb -0.59 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1zts s ILE 122 CO 0.37 -0.13 0.00 -0.62 0.00 0.00 0.00 174.94 174.56 1zts n GLU 123 N 2.52 -1.39 -0.11 2.79 -0.58 -1.26 -4.83 120.64 117.78 1zts n GLU 123 Ca -0.16 0.90 -0.23 0.00 -0.42 0.00 0.00 57.16 57.25 1zts n GLU 123 Cb 0.58 -5.17 -0.12 0.00 -0.57 0.00 0.00 31.44 26.16 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1zts n ALA 124 N 1.23 1.19 0.08 0.62 0.00 -1.26 -3.87 120.51 118.49 1zts n ALA 124 Ca -0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 53.44 52.32 1zts n ALA 124 Cb 0.54 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1zts n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1zts h LYS 125 N -0.47 0.00 0.00 0.00 3.64 -1.93 -3.21 116.57 114.59 1zts h LYS 125 Ca -0.57 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.71 1zts h LYS 125 Cb 1.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1zts h LYS 125 CO -0.20 0.90 -0.48 0.28 -2.27 0.00 0.00 179.45 177.68 1zts h VAL 126 N 0.00 1.11 0.00 2.00 2.07 -1.96 0.24 116.25 119.71 1zts h VAL 126 Ca -0.01 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 1zts h VAL 126 Cb 1.63 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1zts h VAL 126 CO 0.12 0.47 -0.56 0.03 0.02 0.00 0.00 177.57 177.64 1zts h ARG 127 N 0.00 0.00 0.03 1.57 3.08 -1.66 -2.00 114.38 115.40 1zts h ARG 127 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 1zts h ARG 127 Cb 0.99 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 1zts h ARG 127 CO 0.06 0.56 -2.13 0.00 -1.07 0.00 0.00 179.97 177.39 1zts n MET 128 N -3.49 0.68 0.18 0.04 0.00 -1.12 -4.06 117.12 109.36 1zts n MET 128 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 57.70 57.93 1zts n MET 128 Cb 0.65 -1.64 0.32 0.00 0.00 0.00 0.00 33.22 32.55 1zts n MET 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1zts h ARG 129 N 0.02 0.00 -0.90 3.17 3.08 -0.59 -3.09 114.38 116.07 1zts h ARG 129 Ca -0.46 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.99 1zts h ARG 129 Cb 2.05 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 31.79 1zts h ARG 129 CO 0.03 0.39 0.39 0.43 -1.07 0.00 0.00 179.97 180.14 1zts n SER 130 N -3.54 6.43 -4.91 7.04 7.64 -0.75 -4.99 113.62 120.54 1zts n SER 130 Ca -0.00 -3.77 -0.30 0.00 1.01 0.00 0.00 58.87 55.81 1zts n SER 130 Cb 0.52 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.89 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1zts s ILE 131 N -4.57 5.27 0.21 0.44 2.07 -1.17 -4.96 121.20 118.49 1zts s ILE 131 Ca 0.60 -0.23 -0.10 0.00 -1.41 0.00 0.00 60.65 59.50 1zts s ILE 131 Cb 0.48 -3.65 0.15 0.00 0.13 0.00 0.00 42.46 39.56 1zts s ILE 131 CO 0.01 0.04 1.73 -0.07 -1.91 0.00 0.00 174.94 174.74 1zts h LEU 132 N 2.75 0.14 0.00 8.50 3.38 -1.93 -3.46 115.31 124.69 1zts h LEU 132 Ca -0.46 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1zts h LEU 132 Cb 1.17 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1zts h LEU 132 CO 0.73 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 178.73 1zts n GLU 133 N -5.04 0.00 -2.55 1.13 1.02 -1.26 -5.02 120.64 108.91 1zts n GLU 133 Ca 0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 1zts n GLU 133 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1zts n HIS 134 N -1.25 -1.21 -3.96 -0.32 -0.00 -1.26 -4.96 115.22 102.26 1zts n HIS 134 Ca 0.00 0.14 -0.09 0.00 -0.00 0.00 0.00 57.72 57.78 1zts n HIS 134 Cb 0.00 -3.97 -0.04 0.00 -0.00 0.00 0.00 29.99 25.98 1zts n HIS 134 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1zts s HIS 135 N -3.03 0.23 -0.31 1.57 3.76 -1.26 -5.06 115.29 111.18 1zts s HIS 135 Ca 0.08 -0.62 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 1zts s HIS 135 Cb -0.04 0.34 0.47 0.00 1.11 0.00 0.00 32.58 34.46 1zts s HIS 135 CO 0.10 -1.07 1.39 0.72 -0.85 0.00 0.00 174.74 175.03 1zts n HIS 136 N -0.41 1.49 -3.76 1.40 -0.00 -1.26 -4.98 115.22 107.70 1zts n HIS 136 Ca -0.02 -1.88 -0.12 0.00 -0.00 0.00 0.00 57.72 55.69 1zts n HIS 136 Cb 0.61 -0.48 -0.12 0.00 -0.00 0.00 0.00 29.99 30.00 1zts n HIS 136 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1zts s HIS 137 N -3.40 -0.34 -0.53 4.41 5.65 -1.26 -5.12 115.29 114.71 1zts s HIS 137 Ca 0.47 0.80 -0.03 0.00 0.25 0.00 0.00 55.06 56.55 1zts s HIS 137 Cb 0.41 0.10 0.14 0.00 -1.18 0.00 0.00 32.58 32.05 1zts s HIS 137 CO -0.01 -0.19 0.34 -1.58 -0.65 0.00 0.00 174.74 172.65 1zts s HIS 138 N 0.55 3.48 -2.83 3.88 2.46 -1.26 -5.10 115.29 116.47 1zts s HIS 138 Ca -0.03 -2.60 0.25 0.00 0.47 0.00 0.00 55.06 53.15 1zts s HIS 138 Cb -0.05 -3.20 0.49 0.00 -0.13 0.00 0.00 32.58 29.68 1zts s HIS 138 CO -0.03 -0.89 1.43 0.72 -2.47 0.00 0.00 174.74 173.49